About: Complex generalized minimal residual algorithm for iterative solution of quantum‐mechanical reactive scattering equations

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About: Complex generalized minimal residual algorithm for iterative solution of quantum‐mechanical reactive scattering equations Goto Sponge NotDistinct Permalink

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description	wetenschappelijk artikel (nl) наукова стаття, опублікована в грудні 1992 (uk) article scientifique publié en 1992 (fr) im Dezember 1992 veröffentlichter wissenschaftlicher Artikel (de)
publication date	wds:Q57402466-7A1FBB34-DD07-47C3-8230-123E1F6023B0
publication date	1992-12-01 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q57402466-002C8F20-1A61-421D-A1EC-E26BC9118501
language of work or name	English
cites work	wds:Q57402466-04314DDF-47B0-4AEE-A8B4-E96F77A3283B wds:Q57402466-0A2A145A-6C8B-4523-9103-9FDB9E1EEF9F wds:Q57402466-1E5192FB-087F-4EAA-A225-B854E65FBCBC wds:Q57402466-2C08402C-DD0A-497D-9B97-9BF1669EB2B8 wds:Q57402466-321D7C84-0FD0-419D-9B0D-E9075C880551 wds:Q57402466-41049F1A-E6A2-478C-AFC6-28DD8F97254C wds:Q57402466-55CE52A0-26D9-48FD-BC53-CC80C78E36C6 wds:Q57402466-5EA2505E-5B5A-4A6A-B6B6-F12E96FEC06B wds:Q57402466-723D676B-49AE-437F-BCD4-689444BF505A wds:Q57402466-7DD46A15-4916-4661-BFC6-95281874F5EB wds:Q57402466-88232195-7FBD-4D44-A23C-B10D359877A7 wds:Q57402466-A910133A-9838-4F49-84EB-C7D37749B8FA wds:Q57402466-C687C6DA-EDF4-4CBC-BEAB-BFD4674E3344 wds:Q57402466-E4CF5146-8316-41DD-B79D-692A049B2462 wds:Q57402466-E9FDABA6-B855-4DC6-B6FA-5514AB8CCE53 wds:Q57402466-F018DC80-D9FB-4A6D-B874-7187A38B4A20 wds:Q57402466-F3DD9426-09E5-4B9E-A661-05A7B27D5D24 wds:Q57402466-F5FA59BF-B06B-47C8-AE9F-3F071561E15D wds:Q57402466-F6FD81C7-A199-4DE1-B251-A782CC86CC74 wds:Q57402466-FA67E419-8570-4A95-ACCD-5BFFF98C8A8C
cites work	GMRES: A Generalized Minimal Residual Algorithm for Solving Nonsymmetric Linear Systems A double many‐body expansion of the two lowest‐energy potential surfaces and nonadiabatic coupling for H3 Calculations relating to the experimental observation of resonances in the H+H2 reaction A comparative analysis of variational methods for inelastic and reactive scattering Variational reactive scattering calculations: computational optimization strategies Improved techniques for outgoing wave variational principle calculations of converged state‐to‐state transition probabilities for chemical reactions Quantum mechanical algebraic variational methods for inelastic and reactive molecular collisions L2 amplitude density method for multichannel inelastic and rearrangement collisions ℒ2Calculations of accurate quantal-dynamical reactive scattering transition probabilities and their use to test semiclassical applications Quantum scattering via the log derivative version of the Kohn variational principle High-energy state-to-state quantum dynamics for D+H2 (v=j=1) → HD (v′=1, j′) + H Translational basis set contraction in variational reactive scattering Spectroscopic analysis of transition state energy levels: Bending–rotational spectrum and lifetime analysis of H3 quasibound states Benchmark calculations of thermal reaction rates. I. Quantal scattering theory Exact quantum dynamics and tests of the distorted-wave approximation for the O(3P)+ HD reaction Direct calculation of the reactive transition matrix by L2 quantum mechanical variational methods with complex boundary conditions Variational basis-set calculations of accurate quantum mechanical reaction probabilities Contracted basis functions for variational solutions of quantum mechanical reactive scattering problems Iterative methods for solving the non-sparse equations of quantum mechanical reactive scattering H+H2(0,0)→H2(v’, j’)+H integral cross sections on the double many body expansion potential energy surface
author name string	wds:Q57402466-17BC4662-833B-4B8E-9C95-B934EA82085A wds:Q57402466-4D3818D7-440C-4E3D-9A3C-B571A858DC56 wds:Q57402466-588A57B4-BFF8-4A11-A1F4-86FD81EA9A0A wds:Q57402466-BA1F1EE0-1228-4D34-A4DA-CD6698845B36
author name string	David C. Chatfield David W. Schwenke Melissa S. Reeves Csilla Duneczky
rdfs:label	Complex generalized minimal residual algorithm for iterative solution of quantum‐mechanical reactive scattering equations (en) Complex generalized minimal residual algorithm for iterative solution of quantum‐mechanical reactive scattering equations (nl)
skos:prefLabel	Complex generalized minimal residual algorithm for iterative solution of quantum‐mechanical reactive scattering equations (en) Complex generalized minimal residual algorithm for iterative solution of quantum‐mechanical reactive scattering equations (nl)
name	Complex generalized minimal residual algorithm for iterative solution of quantum‐mechanical reactive scattering equations (en) Complex generalized minimal residual algorithm for iterative solution of quantum‐mechanical reactive scattering equations (nl)
author	wds:Q57402466-92E80C08-1F33-49ED-AB32-C771E0122691
author	Donald Truhlar
title	wds:Q57402466-4075F3F0-2A27-4563-9732-471118E17234
title	Complex generalized minimal residual algorithm for iterative solution of quantum‐mechanical reactive scattering equations (en)
page(s)	wds:Q57402466-41CD4807-45A0-4B31-82E9-0B845D204B6A
page(s)	8322-8333
instance of	wds:Q57402466-63B8204E-6F38-4996-B465-880518E4D815
instance of	scholarly article
published in	wds:Q57402466-E6E71E40-F5D0-4E42-9BF6-2639EE775F2D
published in	Journal of Chemical Physics
issue	wds:Q57402466-9B423BEE-5CB5-4B9F-B49C-1A628167DD6F
volume	wds:Q57402466-A2FABDDE-4053-4DD9-BCF6-773556BCC288
issue	11
volume	97
number of pages	wds:Q57402466-FED078C6-92C1-4FDA-88F8-D1D3BA592C0E
number of pages	12 (xsd:decimal)
DOI	wds:Q57402466-029D3175-0306-4A60-9F8F-4EB176607DAB
DOI	http://dx.doi.org/10.1063/1.463402
DOI	10.1063/1.463402
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q57402466
is cites work of	The simulation of outgoing-wave boundary conditions via a symmetrically damped, Hermitian Hamiltonian operator Preconditioned complex generalized minimal residual algorithm for dense algebraic variational equations in quantum reactive scattering
is cites work of	wds:Q62683344-A5D7766D-C979-4741-9B0A-51442A30D3EA wds:Q57402457-6F6D027C-36D2-40B9-BFFB-C8891595D919

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